Basic information
- Standard SMILES
O=C(OC(c1cccc(F)c1)c1cccc(F)c1)C1CN2CCC1CC2- InChIKey
DTBPGEJFJBXZHE-UHFFFAOYSA-N- Molecular formula
- C21H21F2NO2
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- Bis(3-fluorophenyl)methyl quinuclidine-3-carboxylate
- IUPAC
- bis(3-fluorophenyl)methyl 1-azabicyclo[2.2.2]octane-3-carboxylate
Names & synonyms
SCHEMBL13517126DTBPGEJFJBXZHE-UHFFFAOYSA-Nbis(3-fluorophenyl)methyl quinuclidine-3-carboxylate
Database identifiers
- PubChem CID
- 70925896
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Related reactions
14 records
Compound notes
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